- InChI
- InChI=1S/C13H17F2NO/c1-2-3-4-5-8-16-13(17)11-9-10(14)6-7-12(11)15/h6-7,9H,2-5,8H2,1H3,(H,16,17)
- InChI Key
- PSWVXHJRUXDXFG-UHFFFAOYSA-N
- Formula
- C13H17F2NO
- SMILES
- CCCCCCNC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 241.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6963 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.275 | Crippen Calculated Property | |
| McVol | 185.360 | ml/mol | McGowan Calculated Property |
| Pc | 2106.13 | kPa | Joback Calculated Property |
| Inp | [1749.00; 1749.00] |
|
|
| Inp | 1749.00 | NIST | |
| Inp | 1749.00 | NIST | |
| Tboil | 567.05 | K | Relay (1.0) Calculated Property |
| Tc | 785.65 | K | Relay (1.0) Calculated Property |
| Tfus | 320.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.55; 558.73] | J/mol×K | [636.06; 826.22] |
|
| Cp,gas | 485.55 | J/mol×K | 636.06 | Joback Calculated Property |
| Cp,gas | 499.57 | J/mol×K | 667.75 | Joback Calculated Property |
| Cp,gas | 512.82 | J/mol×K | 699.45 | Joback Calculated Property |
| Cp,gas | 525.34 | J/mol×K | 731.14 | Joback Calculated Property |
| Cp,gas | 537.15 | J/mol×K | 762.83 | Joback Calculated Property |
| Cp,gas | 548.27 | J/mol×K | 794.52 | Joback Calculated Property |
| Cp,gas | 558.73 | J/mol×K | 826.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-difluoro-N-hexyl-.
Sources
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